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Statistical adiabatic channel model for termolecular reactions

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Pérez-Ríos,  Jesús       
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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144305_1_5.0230336.pdf
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Citation

Pérez-Ríos, J. (2024). Statistical adiabatic channel model for termolecular reactions. The Journal of Chemical Physics, 161(14): 144305. doi:10.1063/5.0230336.


Cite as: https://hdl.handle.net/21.11116/0000-000F-EE90-2
Abstract
In this work, we present a statistical adiabatic channel model for termolecular reactions, A + B + C → Products. Our approach relies on hyperspherical coordinates, where the adiabatic channels are readily defined in the hyper-radius after averaging the hyperangular degrees of freedom. In this way, we find a general expression for termolecular rate constants. We focus on ion-neutral association reactions to test our approach’s accuracy and predictive power, finding a good agreement between theory and experiment, especially in those reactions’ temperature dependence.